Achieving tunable sensitivity in composite high-energy density materials

Maija M. Kuklja, Roman V. Tsyshevsky, Sergey Rashkeev

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

Laser irradiation provides a unique opportunity for selective, predictive, and controlled initiation of energetic materials. We propose a consistent micro-scale mechanism of photoexcitation at the interface, formed by a molecular energetic material and a metal oxide. A specific PETN-MgO model composite is used to illustrate and explain seemingly puzzling experiments on selective laser initiation of energetic materials, which reported that the presence of metal oxide additives triggered the photoinitiation by an unusually low energy. We suggest that PETN photodecomposition is catalyzed by oxygen vacancies (F0 centers) at the MgO surface. The proposed model suggests ways to tune sensitivity of energetic molecular materials to photoinitiation. Our quantum-chemical calculations suggest that the structural point defects (e.g., oxygen vacancies) strongly interact with the molecular material (e.g., adsorbed energetic molecules) by inducing a charge transfer at the interface and hence play an imperative role in governing both energy absorption and energy release in the system. Our approach and conclusions provide a solid basis for novel design of energetic interfaces with desired properties and offers a new perspective in the field of explosive materials and devices.

Original languageEnglish
Title of host publicationShock Compression of Condensed Matter - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter
PublisherAmerican Institute of Physics Inc.
Volume1793
ISBN (Electronic)9780735414570
DOIs
Publication statusPublished - 13 Jan 2017
Event19th Biennial American Physical Society Conference on Shock Compression of Condensed Matter, SCCM 2015 - Tampa, United States
Duration: 14 Jun 201519 Jun 2015

Other

Other19th Biennial American Physical Society Conference on Shock Compression of Condensed Matter, SCCM 2015
CountryUnited States
CityTampa
Period14/6/1519/6/15

Fingerprint

PETN
flux density
composite materials
metal oxides
sensitivity
photodecomposition
energy absorption
oxygen
photoexcitation
point defects
lasers
charge transfer
irradiation
energy
molecules

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Kuklja, M. M., Tsyshevsky, R. V., & Rashkeev, S. (2017). Achieving tunable sensitivity in composite high-energy density materials. In Shock Compression of Condensed Matter - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter (Vol. 1793). [040025] American Institute of Physics Inc.. https://doi.org/10.1063/1.4971519

Achieving tunable sensitivity in composite high-energy density materials. / Kuklja, Maija M.; Tsyshevsky, Roman V.; Rashkeev, Sergey.

Shock Compression of Condensed Matter - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. Vol. 1793 American Institute of Physics Inc., 2017. 040025.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Kuklja, MM, Tsyshevsky, RV & Rashkeev, S 2017, Achieving tunable sensitivity in composite high-energy density materials. in Shock Compression of Condensed Matter - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. vol. 1793, 040025, American Institute of Physics Inc., 19th Biennial American Physical Society Conference on Shock Compression of Condensed Matter, SCCM 2015, Tampa, United States, 14/6/15. https://doi.org/10.1063/1.4971519
Kuklja MM, Tsyshevsky RV, Rashkeev S. Achieving tunable sensitivity in composite high-energy density materials. In Shock Compression of Condensed Matter - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. Vol. 1793. American Institute of Physics Inc. 2017. 040025 https://doi.org/10.1063/1.4971519
Kuklja, Maija M. ; Tsyshevsky, Roman V. ; Rashkeev, Sergey. / Achieving tunable sensitivity in composite high-energy density materials. Shock Compression of Condensed Matter - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. Vol. 1793 American Institute of Physics Inc., 2017.
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